Motexafin lutetium (CED0013340)

Record Information

Version

1.0

Creation Date

2026-04-14 15:37:16 UTC

Update Date

2026-05-14 18:13:42 UTC

SynCED ID

CED0013340

Secondary Accession Numbers

CHEM129272

Identification

Common Name

Motexafin lutetium

Class

Small Molecule

Description

Motexafin lutetium is a chemical compound with the formula C52H72LuN5O14. With an average molecular weight of 1,166 g/mol, Motexafin lutetium is a heavy molecule. In terms of biological activity, there is one recorded protein target for this compound, as it acts as a modulator of Prostate-specific antigen (KLK3).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅₂H₇₂LuN₅O₁₄

Average Molecular Mass

1166.136 g/mol

Monoisotopic Mass

1165.448 g/mol

CAS Registry Number

246252-04-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[Lu+3].CC([O-])=O.CC([O-])=O.CCC1=C2[N-]C(\C=C3/N=C(/C=N/C4=CC(OCCOCCOCCOC)=C(OCCOCCOCCOC)C=C4\N=C\C4=N\C(=C/2)\C(CCCO)=C4C)C(C)=C3CCCO)=C1CC

InChI Identifier

InChI=1S/C48H66N5O10.2C2H4O2.Lu/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/q-1;;;+3/p-2/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;;

InChI Key

ZCISRIHHEXSWIR-WRIGXHCHSA-L

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000514	Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.	Electrical & Electronic Equipment	Not Available
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	Not Available
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	Not Available
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.244 Low confidence Statistical Significance 0.5439 Supporting Reference Compounds 1301 E-value 4234.45
Click to view 3D structure	Platelet-derived growth factor receptor beta	P09619	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.242 Low confidence Statistical Significance 0.5544 Supporting Reference Compounds 597 E-value 4315.73
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.239 Low confidence Statistical Significance 0.7468 Supporting Reference Compounds 1660 E-value 5814.01
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.239 Low confidence Statistical Significance 0.7205 Supporting Reference Compounds 1274 E-value 5609.04
Click to view 3D structure	Receptor tyrosine-protein kinase erbB-2	P04626	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.239 Low confidence Statistical Significance 0.6156 Supporting Reference Compounds 674 E-value 4792.79
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.244 Low confidence Statistical Significance 0.8761 Supporting Reference Compounds 1538 E-value 6820.21
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.239 Low confidence Statistical Significance 0.734 Supporting Reference Compounds 1010 E-value 5714.29
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.239 Low confidence Statistical Significance 0.7795 Supporting Reference Compounds 1130 E-value 6068.58
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.244 Low confidence Statistical Significance 0.8959 Supporting Reference Compounds 1498 E-value 6974.67
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.239 Low confidence Statistical Significance 0.7543 Supporting Reference Compounds 1017 E-value 5872.17
Click to view 3D structure	Fibroblast growth factor receptor 2	P21802	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.239 Low confidence Statistical Significance 0.4189 Supporting Reference Compounds 242 E-value 3261.49
Click to view 3D structure	Tyrosine-protein kinase ABL1	P00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.239 Low confidence Statistical Significance 0.7507 Supporting Reference Compounds 927 E-value 5844.14
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.239 Low confidence Statistical Significance 0.7341 Supporting Reference Compounds 905 E-value 5714.76
Click to view 3D structure	Insulin-like growth factor 1 receptor	P08069	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.239 Low confidence Statistical Significance 0.7234 Supporting Reference Compounds 785 E-value 5631.92
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase receptor Ret	P07949	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.239 Low confidence Statistical Significance 0.7242 Supporting Reference Compounds 764 E-value 5638.23
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.226 Low confidence Statistical Significance 0.664 Supporting Reference Compounds 553 E-value 5169.03
Click to view 3D structure	Fibroblast growth factor receptor 4	P22455	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.239 Low confidence Statistical Significance 0.4171 Supporting Reference Compounds 205 E-value 3246.86
Click to view 3D structure	Fibroblast growth factor receptor 3	P22607	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.239 Low confidence Statistical Significance 0.6904 Supporting Reference Compounds 616 E-value 5374.94
Click to view 3D structure	Platelet-derived growth factor receptor alpha	P16234	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.239 Low confidence Statistical Significance 0.6578 Supporting Reference Compounds 519 E-value 5121.0
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.239 Low confidence Statistical Significance 0.7964 Supporting Reference Compounds 1158 E-value 6199.68
Click to view 3D structure	Non-receptor tyrosine-protein kinase TYK2	P29597	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.239 Low confidence Statistical Significance 0.7132 Supporting Reference Compounds 657 E-value 5552.52
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.239 Low confidence Statistical Significance 0.7853 Supporting Reference Compounds 1029 E-value 6113.89
Click to view 3D structure	Vascular endothelial growth factor receptor 1	P17948	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.239 Low confidence Statistical Significance 0.7267 Supporting Reference Compounds 711 E-value 5657.23
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.239 Low confidence Statistical Significance 0.7605 Supporting Reference Compounds 763 E-value 5920.51
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.244 Low confidence Statistical Significance 0.8499 Supporting Reference Compounds 825 E-value 6616.79